SCHEMBL19764243

SCHEMBL19764243

CC(C)OCC(=O)NC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
EPHX1 P07099 4/20 0.48
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR4 Q13639 1/20 0.39
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
ATF4 P18848 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18872267 0.89 GNAI3 (0.48) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL13681670 0.88 NPSR1 (0.52) NPSR1KMT2AMEN1BCHEACHE
SCHEMBL12101985 0.84 NPSR1 (0.58) EPHX1NPSR1POLBKMT2AMEN1
SCHEMBL12708609 0.83 NPSR1 (0.66) EPHX1NPSR1KMT2AMEN1BCHE
SCHEMBL15447812 0.81 NPSR1 (0.68) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL13681678 0.80 NPSR1 (0.45) NPSR1KMT2AMEN1BCHEACHE
SCHEMBL4070701 0.79 EPHX1 (0.55) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL20061878 0.79 LMNA (0.44) NPSR1KMT2ASIGMAR1MEN1LMNA
SCHEMBL7656762 0.78 EPHX1 (0.50) GNAI3GNAO1GNAI1EPHX1NPSR1
SCHEMBL22332304 0.78 ALDH1A1 (0.46) NPSR1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US disclosed
US-9932324-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-03 US disclosed
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X GNAI3 1117/4885GNAO1 2067/4885GNAI1 1053/4885
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES F12, CKMT1A; CKMT1B, CHRM1 GNAI3 1966/4885GNAO1 2950/4885GNAI1 1776/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.